ethyl 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylate

C14H22N2O2S — CID 64923664

IUPACethyl 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NC1CCC(CC)C1C
InChIInChI=1S/C14H22N2O2S/c1-4-10-6-7-11(9(10)3)16-13-12(15-8-19-13)14(17)18-5-2/h8-11,16H,4-7H2,1-3H3
InChIKeyRMXCNTSDMRQJRF-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.56
Rot. Bonds5

About ethyl 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylate

ethyl 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 64923664) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is ethyl 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID64923664
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nameethyl 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NC1CCC(CC)C1C
InChIInChI=1S/C14H22N2O2S/c1-4-10-6-7-11(9(10)3)16-13-12(15-8-19-13)14(17)18-5-2/h8-11,16H,4-7H2,1-3H3
InChIKeyRMXCNTSDMRQJRF-UHFFFAOYSA-N
XLogP3.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylate (CID 64923664) is ethyl 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1NC1CCC(CC)C1C.
What is the InChIKey of ethyl 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is RMXCNTSDMRQJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-10-6-7-11(9(10)3)16-13-12(15-8-19-13)14(17)18-5-2/h8-11,16H,4-7H2,1-3H3.
What are the key properties of ethyl 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 282.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 64923664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).